THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH ...THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE.
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.43 Å3/Da / 溶媒含有率: 49.4 % 解説: DATA WERE SCALED USING XSCALE WITH FRIEDEL PAIRS KEPT AS SEPARATE WHEN COMPUTING R-MERGE, COMPLETENESS AND
モノクロメーター: Single crystal Si(111) bent monochromator (horizontal focusing) プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 0.97885 Å / 相対比: 1
反射
解像度: 2.27→28.97 Å / Num. obs: 10944 / % possible obs: 97.7 % / Observed criterion σ(I): -3 / Biso Wilson estimate: 52.96 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 17.09
反射 シェル
Diffraction-ID: 1
解像度 (Å)
最高解像度 (Å)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured obs
Num. unique obs
% possible all
2.27-2.35
0.761
2.3
7656
1982
98.9
2.35-2.44
0.57
2.9
7533
1945
99.1
2.44-2.56
0.4
4
8383
2155
98.2
2.56-2.69
0.286
5.7
7620
1952
98.2
2.69-2.86
0.185
8
7840
2010
98.5
2.86-3.08
0.11
12.6
7838
1999
98.1
3.08-3.39
0.064
19.9
7872
2002
97.8
3.39-3.87
0.039
29.6
7621
1931
97.4
3.87-4.87
0.026
41.6
7902
1998
96.9
4.87
0.024
45.7
7765
1961
94
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位相決定
位相決定
手法: 分子置換
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解析
ソフトウェア
名称
バージョン
分類
NB
BUSTER-TNT
BUSTER2.8.0
精密化
XSCALE
dataprocessing
PDB_EXTRACT
3.1
データ抽出
XDS
データ削減
XSCALE
データスケーリング
Rosetta
位相決定
PHASER
位相決定
BUSTER
2.8.0
精密化
精密化
構造決定の手法: 分子置換 / 解像度: 2.27→28.97 Å / Cor.coef. Fo:Fc: 0.9475 / Cor.coef. Fo:Fc free: 0.9375 / Occupancy max: 1 / Occupancy min: 0.5 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: 1. 1,2-ETHANEDIOL (EDO) AND ACETATE (ACT) FROM THE CRYSTALLIZATION CONDITION ARE MODELED INTO THE STRUCTURE. 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS ...詳細: 1. 1,2-ETHANEDIOL (EDO) AND ACETATE (ACT) FROM THE CRYSTALLIZATION CONDITION ARE MODELED INTO THE STRUCTURE. 2. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS. ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS. 3. ELECTRON DENSITY FOR RESIDUES 1-66 IN THE N-TERMINAL REGION OF THE PROTEIN IS DISORDERED, AND THIS REGION COULD NOT BE MODELED.